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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LiNO3 by Materials Project

LiNO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to two equivalent N5+ and four equivalent O2- atoms. Both Li–N bond lengths are 1.90 Å. There are two shorter (2.01 Å) and two longer (2.11 Å) Li–O bond lengths. N5+ is bonded in a distorted single-bond geometry to two equivalent Li1+ and one O2- atom. The N–O bond length is 1.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Li1+ and one O2- atom. The O–O bond length is 1.34 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiNO3 by Materials Project

LiNO3 is Calcite structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form corner-sharing LiO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Li–O bond lengths are 2.19 Å. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a trigonal planar geometry to two equivalent Li1+ and one N5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li8NO3 by Materials Project

Li8NO3 is Fluorite-derived structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded to one N2- and three equivalent O2- atoms to form a mixture of edge and corner-sharing LiNO3 tetrahedra. The Li–N bond length is 2.06 Å. All Li–O bond lengths are 2.03 Å. N2- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms. O2- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li8N3O by Materials Project

Li8N3O is Fluorite-derived structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded to three equivalent N2- and one O2- atom to form a mixture of corner and edge-sharing LiN3O tetrahedra. All Li–N bond lengths are 2.10 Å. The Li–O bond length is 2.02 Å. N2- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms. O2- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li(NO)6 by Materials Project

LiO2(N2)2(NO2)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two lithium hydroxide monohydrate molecules, four nitrogen molecules, and four nitrous acid molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiNO2 by Materials Project

LiNO2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing LiO6 pentagonal pyramids. There are four shorter (2.26 Å) and two longer (2.33 Å) Li–O bond lengths. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.27 Å. O2- is bonded to three equivalent Li1+ and one N3+ atom to form a mixture of distorted edge and corner-sharing OLi3N tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li4NO by Materials Project

Li4NO is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Li1+ is bonded to two equivalent N2- and two equivalent O2- atoms to form a mixture of corner and edge-sharing LiN2O2 tetrahedra. Both Li–N bond lengths are 2.11 Å. Both Li–O bond lengths are 2.03 Å. N2- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms. O2- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li(NO)6 by Materials Project

Li(N2O)2(NO2)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight nitrous acid molecules and four Li(N2O)2 clusters. In each Li(N2O)2 cluster, Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 2.03 Å. There are two inequivalent N+1.83+ sites. In the first N+1.83+ site, N+1.83+ is bonded in a distorted bent 150 degrees geometry to one N+1.83+ and one O2- atom. The N–N bond length is 1.17 Å. The N–O bond length is 1.26 Å. In the second N+1.83+ site, N+1.83+ is bonded in a single-bond geometry to one N+1.83+ atom. O2- is bonded in an L-shaped geometry to one Li1+ and one N+1.83+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiNO3 by Materials Project

LiNO3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.06 Å. N5+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All N–O bond lengths are 2.06 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent N5+ atoms.

36 MATERIALS SCIENCE↗